ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-1-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 6), Eukaryotic	Eukaryotes	9130	0.59	Binding ≤ 10μM
NMD3B-1-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #1 Of 6), Eukaryotic	Eukaryotes	9130	0.59	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	9130	0.59	Binding ≤ 10μM
NMDE2-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #5 Of 5), Eukaryotic	Eukaryotes	9130	0.59	Binding ≤ 10μM
NMDE3-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	9130	0.59	Binding ≤ 10μM
NMDE4-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #1 Of 6), Eukaryotic	Eukaryotes	9130	0.59	Binding ≤ 10μM
NMDZ1-5-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #5 Of 6), Eukaryotic	Eukaryotes	9130	0.59	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.42	0.75	-75.07	10	6	2	127	174.252	7	↓ MOL2 SDF SMILES Flexibase

27097319

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	7090	0.45	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	7090	0.45	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	7090	0.45	Binding ≤ 10μM
NMDE2-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #5 Of 5), Eukaryotic	Eukaryotes	7090	0.45	Binding ≤ 10μM
NMDE3-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	7090	0.45	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	7090	0.45	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	7090	0.45	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.94	2.96	-76.97	10	6	2	130	222.296	5	↓ MOL2 SDF SMILES Flexibase

18118278

Analogs

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Popular Name: DNQX DNQX

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And 7 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	360	0.50	Binding ≤ 10μM
GRIA2-2-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #2 Of 4), Eukaryotic	Eukaryotes	360	0.50	Binding ≤ 10μM
GRIA3-2-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	360	0.50	Binding ≤ 10μM
GRIA4-2-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #2 Of 5), Eukaryotic	Eukaryotes	360	0.50	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	2900	0.43	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2900	0.43	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2900	0.43	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2900	0.43	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	740	0.48	Binding ≤ 10μM
NMD3A-4-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #4 Of 6), Eukaryotic	Eukaryotes	390	0.50	Binding ≤ 10μM
NMD3B-4-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #4 Of 6), Eukaryotic	Eukaryotes	390	0.50	Binding ≤ 10μM
NMDE1-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	840	0.47	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	840	0.47	Binding ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	840	0.47	Binding ≤ 10μM
NMDE4-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #4 Of 6), Eukaryotic	Eukaryotes	390	0.50	Binding ≤ 10μM
NMDZ1-1-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #1 Of 6), Eukaryotic	Eukaryotes	840	0.47	Binding ≤ 10μM
Z104302-5-O	Glutamate NMDA Receptor (cluster #5 Of 7), Other	Other	4500	0.42	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.46	1.23	-35.53	1	10	-1	160	251.134	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	0.42	3.67	-137.39	2	10	2	154	252.142	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.42	2.62	-51.15	1	10	1	153	251.134	2	↓ MOL2 SDF SMILES Flexibase

2010759

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-1-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 6), Eukaryotic	Eukaryotes	9500	0.50	Binding ≤ 10μM
NMD3B-1-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #1 Of 6), Eukaryotic	Eukaryotes	9500	0.50	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	9500	0.50	Binding ≤ 10μM
NMDE2-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #2 Of 5), Eukaryotic	Eukaryotes	9500	0.50	Binding ≤ 10μM
NMDE3-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	9500	0.50	Binding ≤ 10μM
NMDE4-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #1 Of 6), Eukaryotic	Eukaryotes	9500	0.50	Binding ≤ 10μM
NMDZ1-5-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #5 Of 6), Eukaryotic	Eukaryotes	9500	0.50	Binding ≤ 10μM
Z50418-3-O	Trypanosoma Brucei (cluster #3 Of 6), Other	Other	1000	0.60	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	-2.06	-43	3	1	1	27	194.342	3	↓ MOL2 SDF SMILES Flexibase

13777629

Analogs

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Enamine BB Make on Demand
- BBV-42838836

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-1-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 6), Eukaryotic	Eukaryotes	790	0.57	Binding ≤ 10μM
NMD3B-1-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #1 Of 6), Eukaryotic	Eukaryotes	790	0.57	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	790	0.57	Binding ≤ 10μM
NMDE2-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #2 Of 5), Eukaryotic	Eukaryotes	790	0.57	Binding ≤ 10μM
NMDE3-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	790	0.57	Binding ≤ 10μM
NMDE4-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #1 Of 6), Eukaryotic	Eukaryotes	790	0.57	Binding ≤ 10μM
NMDZ1-5-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #5 Of 6), Eukaryotic	Eukaryotes	790	0.57	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.45	5.89	-45.85	3	1	1	28	208.369	2	↓ MOL2 SDF SMILES Flexibase

22309483

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-5-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #5 Of 6), Eukaryotic	Eukaryotes	5000	0.49	Binding ≤ 10μM
NMD3B-5-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #5 Of 6), Eukaryotic	Eukaryotes	5000	0.49	Binding ≤ 10μM
NMDE1-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	5000	0.49	Binding ≤ 10μM
NMDE2-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	5000	0.49	Binding ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	5000	0.49	Binding ≤ 10μM
NMDE4-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #5 Of 6), Eukaryotic	Eukaryotes	5000	0.49	Binding ≤ 10μM
NMDZ1-1-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #1 Of 6), Eukaryotic	Eukaryotes	5000	0.49	Binding ≤ 10μM
Z104302-4-O	Glutamate NMDA Receptor (cluster #4 Of 7), Other	Other	400	0.60	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	6.77	-40.47	1	3	-1	56	238.675	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.09	5.5	-102.71	0	3	-2	53	237.667	1	↓ MOL2 SDF SMILES Flexibase

13777644

Analogs

3886053

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	1720	0.54	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	1720	0.54	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	1720	0.54	Binding ≤ 10μM
NMDE2-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #2 Of 5), Eukaryotic	Eukaryotes	1720	0.54	Binding ≤ 10μM
NMDE3-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	1720	0.54	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	1720	0.54	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	1720	0.54	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	7.17	-35.43	2	1	1	17	208.369	2	↓ MOL2 SDF SMILES Flexibase

4141357

Analogs

4217454
5327776
5734841
12402582
4076224

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	600	0.67	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	600	0.67	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	600	0.67	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	600	0.67	Binding ≤ 10μM
NMDE3-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	600	0.67	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	600	0.67	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	600	0.67	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.04	-1.78	-41.94	3	1	1	27	180.315	1	↓ MOL2 SDF SMILES Flexibase

5165145

Analogs

13777648
31771167

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	7210	0.51	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	7210	0.51	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	7210	0.51	Binding ≤ 10μM
NMDE2-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #2 Of 5), Eukaryotic	Eukaryotes	7210	0.51	Binding ≤ 10μM
NMDE3-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	7210	0.51	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	7210	0.51	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	7210	0.51	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	-1.43	-42.43	3	1	1	27	194.342	1	↓ MOL2 SDF SMILES Flexibase

1491952

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACM1-3-E	Muscarinic Acetylcholine Receptor M1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	1900	0.47	Binding ≤ 10μM
ADA1A-1-E	Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	1200	0.49	Binding ≤ 10μM
ADA1B-1-E	Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	1200	0.49	Binding ≤ 10μM
ADA1D-1-E	Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	1200	0.49	Binding ≤ 10μM
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	3	0.70	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	3	0.70	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	3	0.70	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	3	0.70	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	3	0.70	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	3	0.70	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	3	0.70	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.56	-3.12	-30.1	3	3	1	43	226.303	1	↓ MOL2 SDF SMILES Flexibase

13488063

Analogs

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Vendors

Innovapharm Make-on-Demand
- VT-00661043
Otava (Virtual)
- 4337726

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	750	0.54	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	750	0.54	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	750	0.54	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	750	0.54	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	750	0.54	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	750	0.54	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	750	0.54	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.53	7.48	-31.41	1	2	1	17	211.288	1	↓ MOL2 SDF SMILES Flexibase

13488061

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	7500	0.42	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	7500	0.42	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	7500	0.42	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	7500	0.42	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	7500	0.42	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	7500	0.42	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	7500	0.42	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	7.96	-4.15	0	2	0	16	289.176	1	↓ MOL2 SDF SMILES Flexibase

13488066

Analogs

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Vendors

Enamine BB Make on Demand
- BBV-45712731

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	190	0.55	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	190	0.55	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	190	0.55	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	190	0.55	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	190	0.55	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	190	0.55	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	190	0.55	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	7.58	-27.79	3	3	1	43	226.303	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.36	7.21	-6.51	2	3	0	42	225.295	1	↓ MOL2 SDF SMILES Flexibase

13488071

Analogs

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Vendors

Enamine BB Make on Demand
- BBV-49311203

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACM1-3-E	Muscarinic Acetylcholine Receptor M1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	870	0.47	Binding ≤ 10μM
ADA1A-1-E	Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	1000	0.47	Binding ≤ 10μM
ADA1B-1-E	Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	1000	0.47	Binding ≤ 10μM
ADA1D-1-E	Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	1000	0.47	Binding ≤ 10μM
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	4	0.65	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	4	0.65	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	4	0.65	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	4	0.65	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.65	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	4	0.65	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	4	0.65	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.40	6.08	-28.9	3	3	1	43	240.33	1	↓ MOL2 SDF SMILES Flexibase

5936

Analogs

17950
13742659

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And 18 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KCNH2-5-E	HERG (cluster #5 Of 5), Eukaryotic	Eukaryotes	10000	0.29	Binding ≤ 10μM
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	27	0.44	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	27	0.44	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	7	0.48	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	7	0.48	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	0.48	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	7	0.48	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	7	0.48	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	74	0.42	Functional ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	73	0.42	Functional ≤ 10μM
CP2D6-3-E	Cytochrome P450 2D6 (cluster #3 Of 3), Eukaryotic	Eukaryotes	4250	0.31	ADME/T ≤ 10μM
Z104297-2-O	Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #2 Of 3), Other	Other	30	0.44	Binding ≤ 10μM
Z104304-1-O	Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other	Other	5700	0.31	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	11	0.46	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	11	0.46	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.43	-3.61	-37.03	4	4	1	65	328.432	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.68	9.21	-47.6	2	5	1	55	356.49	4	↓ MOL2 SDF SMILES Flexibase

28363953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: RGH 896 RGH 896

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-5-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #5 Of 6), Eukaryotic	Eukaryotes	6	0.40	Binding ≤ 10μM
NMD3B-5-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #5 Of 6), Eukaryotic	Eukaryotes	6	0.40	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	6	0.40	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	6	0.40	Binding ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	6	0.40	Binding ≤ 10μM
NMDE4-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #5 Of 6), Eukaryotic	Eukaryotes	6	0.40	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	6	0.40	Binding ≤ 10μM
Z104297-2-O	Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #2 Of 3), Other	Other	6	0.40	Binding ≤ 10μM
Z104297-1-O	Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #1 Of 1), Other	Other	70	0.35	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	3.91	-53.36	1	7	-1	98	396.398	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.42	5.62	-21.27	2	7	0	95	397.406	4	↓ MOL2 SDF SMILES Flexibase

336490

Analogs

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And 21 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRID1-1-E	Glutamate Receptor Delta-1 Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	1800	0.62	Binding ≤ 10μM
NMD3A-5-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #5 Of 6), Eukaryotic	Eukaryotes	1800	0.62	Binding ≤ 10μM
NMD3B-5-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #5 Of 6), Eukaryotic	Eukaryotes	1800	0.62	Binding ≤ 10μM
NMDE1-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	1800	0.62	Binding ≤ 10μM
NMDE2-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	1800	0.62	Binding ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	1800	0.62	Binding ≤ 10μM
NMDE4-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #5 Of 6), Eukaryotic	Eukaryotes	1800	0.62	Binding ≤ 10μM
NMDZ1-3-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 6), Eukaryotic	Eukaryotes	1800	0.62	Binding ≤ 10μM
Z104302-4-O	Glutamate NMDA Receptor (cluster #4 Of 7), Other	Other	8400	0.55	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	-7.16	-8.4	2	4	0	66	196.593	0	↓ MOL2 SDF SMILES Flexibase

538633

Analogs

3982657

Draw Identity 99% 90% 80% 70%

Popular Name: CI-1041 CI-1041

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRINA-1-E	Glutamate [NMDA] Receptor Associated Protein 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMD3A-4-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #4 Of 6), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMD3B-4-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #4 Of 6), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMDE4-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #4 Of 6), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7	0.41	Functional ≤ 10μM
Z104297-2-O	Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #2 Of 3), Other	Other	8	0.40	Binding ≤ 10μM
Z104297-1-O	Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #1 Of 1), Other	Other	8	0.40	Functional ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	7	0.41	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	-1.59	-68.23	2	5	1	68	403.499	6	↓ MOL2 SDF SMILES Flexibase

3982657

Analogs

538633

Draw Identity 99% 90% 80% 70%

Popular Name: CI-1041 CI-1041

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRINA-1-E	Glutamate [NMDA] Receptor Associated Protein 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMD3A-4-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #4 Of 6), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMD3B-4-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #4 Of 6), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMDE4-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #4 Of 6), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7	0.41	Functional ≤ 10μM
Z104297-2-O	Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #2 Of 3), Other	Other	8	0.40	Binding ≤ 10μM
Z104297-1-O	Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #1 Of 1), Other	Other	8	0.40	Functional ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	7	0.41	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	-1.59	-59.29	2	5	1	67	403.499	6	↓ MOL2 SDF SMILES Flexibase

3201907

Analogs

34826692

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And 20 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	490	0.44	Binding ≤ 10μM
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	1680	0.40	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	490	0.44	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	1680	0.40	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	490	0.44	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	1680	0.40	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	490	0.44	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	1680	0.40	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	490	0.44	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	1680	0.40	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	490	0.44	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	1680	0.40	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	490	0.44	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	1680	0.40	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	2000	0.40	Binding ≤ 10μM
OPRK-1-E	Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	2000	0.40	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	2000	0.40	Binding ≤ 10μM
SCN1A-1-E	Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	1300	0.41	Binding ≤ 10μM
SCN1A-1-E	Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	1300	0.41	Binding ≤ 10μM
SCN2A-1-E	Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	1300	0.41	Binding ≤ 10μM
SCN2A-1-E	Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	1300	0.41	Binding ≤ 10μM
SCN3A-1-E	Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	1300	0.41	Binding ≤ 10μM
SCN3A-1-E	Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	1300	0.41	Binding ≤ 10μM
SCN8A-1-E	Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	1300	0.41	Binding ≤ 10μM
SCN8A-1-E	Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	1300	0.41	Binding ≤ 10μM
SGMR1-1-E	Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	2000	0.40	Binding ≤ 10μM
SGMR1-1-E	Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	5070	0.37	Binding ≤ 10μM
CP2D6-1-E	Cytochrome P450 2D6 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3400	0.38	ADME/T ≤ 10μM
CP2DQ-1-E	Cytochrome P450 2D2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5600	0.37	ADME/T ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 7), Other	Other	590	0.44	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 7), Other	Other	2246	0.40	Binding ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	794	0.43	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	8.86	-39.89	1	2	1	14	272.412	1	↓ MOL2 SDF SMILES Flexibase

22028288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (RS)-CPP (RS)-CPP

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And 3 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
A2AIR5-1-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 2), Eukaryotic	Eukaryotes	72	0.62	Binding ≤ 10μM
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	72	0.62	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	131	0.60	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	837	0.53	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	80	0.62	Functional ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	800	0.53	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.22	-0.53	-63.96	3	7	-1	120	251.199	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.22	1.55	-134.72	2	7	-2	120	250.191	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-3.22	0.59	-145.65	2	7	-2	123	250.191	5	↓ MOL2 SDF SMILES Flexibase

22033348

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-cpp (R)-cpp

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And 4 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
A2AIR5-1-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 2), Eukaryotic	Eukaryotes	72	0.62	Binding ≤ 10μM
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	86	0.62	Binding ≤ 10μM
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	72	0.62	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	86	0.62	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	86	0.62	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	86	0.62	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	86	0.62	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	131	0.60	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	3160	0.48	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	86	0.62	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	600	0.54	Binding ≤ 10μM
GRIA1-3-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	1600	0.51	Functional ≤ 10μM
GRIA2-3-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #3 Of 4), Eukaryotic	Eukaryotes	1600	0.51	Functional ≤ 10μM
GRIA3-2-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1600	0.51	Functional ≤ 10μM
GRIA4-2-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	1600	0.51	Functional ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	50	0.64	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	837	0.53	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	80	0.62	Functional ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	800	0.53	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.22	-0.58	-64.39	3	7	-1	120	251.199	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.22	1.56	-134.79	2	7	-2	120	250.191	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-3.22	0.54	-145.88	2	7	-2	123	250.191	5	↓ MOL2 SDF SMILES Flexibase

15020542

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRID1-1-E	Glutamate Receptor Delta-1 Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	3300	0.55	Binding ≤ 10μM
NMD3A-5-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #5 Of 6), Eukaryotic	Eukaryotes	3300	0.55	Binding ≤ 10μM
NMD3B-5-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #5 Of 6), Eukaryotic	Eukaryotes	3300	0.55	Binding ≤ 10μM
NMDE1-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	3300	0.55	Binding ≤ 10μM
NMDE2-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	3300	0.55	Binding ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	3300	0.55	Binding ≤ 10μM
NMDE4-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #5 Of 6), Eukaryotic	Eukaryotes	3300	0.55	Binding ≤ 10μM
NMDZ1-3-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 6), Eukaryotic	Eukaryotes	3300	0.55	Binding ≤ 10μM
Z104302-4-O	Glutamate NMDA Receptor (cluster #4 Of 7), Other	Other	2300	0.56	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.54	2.7	-10.8	2	4	0	66	190.202	0	↓ MOL2 SDF SMILES Flexibase

13829431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: PEAQX PEAQX

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Vendors

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-5-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #5 Of 6), Eukaryotic	Eukaryotes	8	0.42	Binding ≤ 10μM
NMD3B-5-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #5 Of 6), Eukaryotic	Eukaryotes	8	0.42	Binding ≤ 10μM
NMDE1-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	8	0.42	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	8	0.42	Binding ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	8	0.42	Binding ≤ 10μM
NMDE4-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #5 Of 6), Eukaryotic	Eukaryotes	37	0.39	Binding ≤ 10μM
NMDZ1-3-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 6), Eukaryotic	Eukaryotes	8	0.42	Binding ≤ 10μM
Z104298-1-O	Glutamate NMDA Receptor; GRIN1/GRIN2A (cluster #1 Of 2), Other	Other	270	0.34	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.93	2.81	-46.71	4	8	-1	138	453.209	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.93	5.23	-81.93	4	8	-1	146	453.209	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.92	3.94	-132.89	3	8	-2	141	452.201	5	↓ MOL2 SDF SMILES Flexibase

13829433

Analogs

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Sigma Aldrich (Building Blocks)
- P1999|SIGMA

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-5-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #5 Of 6), Eukaryotic	Eukaryotes	8	0.42	Binding ≤ 10μM
NMD3B-5-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #5 Of 6), Eukaryotic	Eukaryotes	8	0.42	Binding ≤ 10μM
NMDE1-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	8	0.42	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	8	0.42	Binding ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	8	0.42	Binding ≤ 10μM
NMDE4-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #5 Of 6), Eukaryotic	Eukaryotes	37	0.39	Binding ≤ 10μM
NMDZ1-3-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 6), Eukaryotic	Eukaryotes	8	0.42	Binding ≤ 10μM
Z104298-1-O	Glutamate NMDA Receptor; GRIN1/GRIN2A (cluster #1 Of 2), Other	Other	270	0.34	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.93	3.69	-44.33	4	8	-1	138	453.209	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.93	3.96	-38.6	5	8	0	143	454.217	5	↓ MOL2 SDF SMILES Flexibase

968311

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
A2AIR5-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 2), Eukaryotic	Eukaryotes	35	0.58	Binding ≤ 10μM
ACM1-3-E	Muscarinic Acetylcholine Receptor M1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	9100	0.39	Binding ≤ 10μM
ACM2-3-E	Muscarinic Acetylcholine Receptor M2 (cluster #3 Of 6), Eukaryotic	Eukaryotes	9100	0.39	Binding ≤ 10μM
ACM3-1-E	Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic	Eukaryotes	9100	0.39	Binding ≤ 10μM
ACM4-1-E	Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 6), Eukaryotic	Eukaryotes	9100	0.39	Binding ≤ 10μM
ACM5-2-E	Muscarinic Acetylcholine Receptor M5 (cluster #2 Of 4), Eukaryotic	Eukaryotes	9100	0.39	Binding ≤ 10μM
CHLE-2-E	Butyrylcholinesterase (cluster #2 Of 7), Eukaryotic	Eukaryotes	525	0.49	Binding ≤ 10μM
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	23	0.59	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	35	0.58	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	23	0.59	Binding ≤ 10μM
NMDE2-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #5 Of 5), Eukaryotic	Eukaryotes	23	0.59	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	23	0.59	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	35	0.58	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	23	0.59	Binding ≤ 10μM
PCP-1-E	Lysosomal Pro-X Carboxypeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	91	0.55	Binding ≤ 10μM
SGMR1-1-E	Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	530	0.49	Binding ≤ 10μM
CP2B6-2-E	Cytochrome P450 2B6 (cluster #2 Of 4), Eukaryotic	Eukaryotes	10000	0.39	ADME/T ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 7), Other	Other	10	0.62	Binding ≤ 10μM
Z50594-1-O	Mus Musculus (cluster #1 Of 1), Other	Other	270	0.51	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 5), Other	Other	270	0.51	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	200	0.52	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	200	0.52	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.82	10.57	-26.82	1	1	1	4	244.402	2	↓ MOL2 SDF SMILES Flexibase

12428297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC012459 DNC012459

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And 10 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRID1-1-E	Glutamate Receptor Delta-1 Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	280	0.66	Binding ≤ 10μM
NMD3A-5-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #5 Of 6), Eukaryotic	Eukaryotes	280	0.66	Binding ≤ 10μM
NMD3B-5-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #5 Of 6), Eukaryotic	Eukaryotes	280	0.66	Binding ≤ 10μM
NMDE1-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	280	0.66	Binding ≤ 10μM
NMDE2-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	280	0.66	Binding ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	280	0.66	Binding ≤ 10μM
NMDE4-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #5 Of 6), Eukaryotic	Eukaryotes	280	0.66	Binding ≤ 10μM
NMDZ1-3-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 6), Eukaryotic	Eukaryotes	280	0.66	Binding ≤ 10μM
Z104302-4-O	Glutamate NMDA Receptor (cluster #4 Of 7), Other	Other	3400	0.55	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.99	2.59	-8.79	2	4	0	66	231.038	0	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.90	0.52	-42.98	1	4	-1	69	230.03	0	↓ MOL2 SDF SMILES Flexibase

56526

Analogs

40164019
40164021

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACM1-3-E	Muscarinic Acetylcholine Receptor M1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	744	0.48	Binding ≤ 10μM
ACM2-1-E	Muscarinic Acetylcholine Receptor M2 (cluster #1 Of 6), Eukaryotic	Eukaryotes	2960	0.43	Binding ≤ 10μM
EBP-1-E	3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (cluster #1 Of 1), Eukaryotic	Eukaryotes	7660	0.40	Binding ≤ 10μM
NMD3A-6-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #6 Of 6), Eukaryotic	Eukaryotes	7800	0.40	Binding ≤ 10μM
NMD3B-6-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #6 Of 6), Eukaryotic	Eukaryotes	7800	0.40	Binding ≤ 10μM
NMDE1-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #5 Of 5), Eukaryotic	Eukaryotes	7800	0.40	Binding ≤ 10μM
NMDE2-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #5 Of 5), Eukaryotic	Eukaryotes	7800	0.40	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	7800	0.40	Binding ≤ 10μM
NMDE4-6-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #6 Of 6), Eukaryotic	Eukaryotes	7800	0.40	Binding ≤ 10μM
NMDZ1-6-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #6 Of 6), Eukaryotic	Eukaryotes	7800	0.40	Binding ≤ 10μM
OPRD-3-E	Delta Opioid Receptor (cluster #3 Of 3), Eukaryotic	Eukaryotes	3950	0.42	Binding ≤ 10μM
OPRK-2-E	Kappa Opioid Receptor (cluster #2 Of 6), Eukaryotic	Eukaryotes	3950	0.42	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	3950	0.42	Binding ≤ 10μM
SGMR1-4-E	Sigma Opioid Receptor (cluster #4 Of 6), Eukaryotic	Eukaryotes	89	0.55	Binding ≤ 10μM
SCN2A-1-E	Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	9210	0.39	Functional ≤ 10μM
ERG2-2-F	C-8 Sterol Isomerase (cluster #2 Of 2), Fungal	Fungi	2000	0.44	Binding ≤ 10μM
Z100491-1-O	Sigma 2 Receptor (cluster #1 Of 2), Other	Other	70	0.56	Binding ≤ 10μM
Z104302-7-O	Glutamate NMDA Receptor (cluster #7 Of 7), Other	Other	9120	0.39	Binding ≤ 10μM
Z50512-3-O	Cavia Porcellus (cluster #3 Of 7), Other	Other	6900	0.40	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.75	8.4	-25.53	4	3	1	50	240.33	4	↓ MOL2 SDF SMILES Flexibase

18182210

Analogs

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And 55 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRID1-1-E	Glutamate Receptor Delta-1 Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	9800	0.58	Binding ≤ 10μM
NMD3A-5-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #5 Of 6), Eukaryotic	Eukaryotes	9800	0.58	Binding ≤ 10μM
NMD3B-5-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #5 Of 6), Eukaryotic	Eukaryotes	9800	0.58	Binding ≤ 10μM
NMDE1-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	9800	0.58	Binding ≤ 10μM
NMDE2-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	9800	0.58	Binding ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	9800	0.58	Binding ≤ 10μM
NMDE4-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #5 Of 6), Eukaryotic	Eukaryotes	9800	0.58	Binding ≤ 10μM
NMDZ1-3-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 6), Eukaryotic	Eukaryotes	9800	0.58	Binding ≤ 10μM
Z104302-4-O	Glutamate NMDA Receptor (cluster #4 Of 7), Other	Other	9800	0.58	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.27	1.48	-11.66	2	4	0	66	162.148	0	↓ MOL2 SDF SMILES Flexibase

18187630

Analogs

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And 9 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	1640	0.58	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	1640	0.58	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	1640	0.58	Binding ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic	Eukaryotes	1640	0.58	Binding ≤ 10μM
GRID1-1-E	Glutamate Receptor Delta-1 Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	130	0.69	Binding ≤ 10μM
NMD3A-5-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #5 Of 6), Eukaryotic	Eukaryotes	130	0.69	Binding ≤ 10μM
NMD3B-5-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #5 Of 6), Eukaryotic	Eukaryotes	130	0.69	Binding ≤ 10μM
NMDE1-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	130	0.69	Binding ≤ 10μM
NMDE2-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	130	0.69	Binding ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	130	0.69	Binding ≤ 10μM
NMDE4-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #5 Of 6), Eukaryotic	Eukaryotes	130	0.69	Binding ≤ 10μM
NMDZ1-3-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 6), Eukaryotic	Eukaryotes	130	0.69	Binding ≤ 10μM
Z104302-4-O	Glutamate NMDA Receptor (cluster #4 Of 7), Other	Other	3100	0.55	Binding ≤ 10μM
Z50425-9-O	Plasmodium Falciparum (cluster #9 Of 22), Other	Other	3981	0.54	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	DL
Ref Reference (pH 7)	0.99	2.46	-9.86	2	4	0	66	231.038	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.86	1.7	-36.44	1	4	1	61	230.03	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.90	0.31	-40.97	1	4	-1	69	230.03	↓ MOL2 SDF SMILES Flexibase

25757829

Analogs

26011425
1482044
1854016

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Popular Name: MK-801 MK-801

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And 3 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
A2AIR5-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 2), Eukaryotic	Eukaryotes	1	0.74	Binding ≤ 10μM
AA3R-3-E	Adenosine Receptor A3 (cluster #3 Of 6), Eukaryotic	Eukaryotes	2	0.72	Binding ≤ 10μM
GRL1A-1-E	Glutamate [NMDA] Receptor-like 1A (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.72	Binding ≤ 10μM
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	2	0.72	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	1	0.74	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	31	0.62	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	7	0.67	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	31	0.62	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	7	0.67	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	31	0.62	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	0.67	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	31	0.62	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	2	0.72	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	31	0.62	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	7	0.67	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	31	0.62	Binding ≤ 10μM
PCP-1-E	Lysosomal Pro-X Carboxypeptidase (cluster #1 Of 1), Eukaryotic	Eukaryotes	5	0.68	Binding ≤ 10μM
SGMR1-1-E	Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	1700	0.48	Binding ≤ 10μM
NMDE1-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	29	0.62	Functional ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	9	0.66	Functional ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 7), Other	Other	7	0.67	Binding ≤ 10μM
Z50594-1-O	Mus Musculus (cluster #1 Of 1), Other	Other	5800	0.43	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	58	0.60	Functional ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	3981	0.44	Functional ≤ 10μM
Z50594-6-O	Mus Musculus (cluster #6 Of 9), Other	Other	6	0.68	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	54	0.60	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	6.6	-4.25	1	1	0	12	221.303	0	↓ MOL2 SDF SMILES Flexibase

19632959

Analogs

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Popular Name: L-AP5 L-AP5

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	290	0.76	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	176	0.79	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	350	0.75	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	420	0.74	Binding ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	6100	0.61	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.75	-0.95	-61.4	4	6	-1	128	196.119	5	↓ MOL2 SDF SMILES Flexibase

19943047

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	460	0.74	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	280	0.76	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	176	0.79	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	3710	0.63	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	460	0.74	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	3700	0.63	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	420	0.74	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	880	0.71	Binding ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	6100	0.61	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.75	-0.93	-61.42	4	6	-1	128	196.119	5	↓ MOL2 SDF SMILES Flexibase

12410487

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRID1-1-E	Glutamate Receptor Delta-1 Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	2100	0.57	Binding ≤ 10μM
NMD3A-5-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #5 Of 6), Eukaryotic	Eukaryotes	2100	0.57	Binding ≤ 10μM
NMD3B-5-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #5 Of 6), Eukaryotic	Eukaryotes	2100	0.57	Binding ≤ 10μM
NMDE1-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	2100	0.57	Binding ≤ 10μM
NMDE2-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	2100	0.57	Binding ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	2100	0.57	Binding ≤ 10μM
NMDE4-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #5 Of 6), Eukaryotic	Eukaryotes	2100	0.57	Binding ≤ 10μM
NMDZ1-3-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 6), Eukaryotic	Eukaryotes	2100	0.57	Binding ≤ 10μM
Z104302-4-O	Glutamate NMDA Receptor (cluster #4 Of 7), Other	Other	2100	0.57	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.54	2.94	-10.71	2	4	0	66	190.202	0	↓ MOL2 SDF SMILES Flexibase

22309331

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	35	0.80	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	35	0.80	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.23	-0.61	-61.13	4	6	-1	128	208.13	4	↓ MOL2 SDF SMILES Flexibase

22309336

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	26	0.82	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	35	0.80	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-3.23	-1.56	-82.99	4	6	-1	128	208.13	4	↓ MOL2 SDF SMILES Flexibase

19632758

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
A2AIR5-1-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 2), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	461	0.63	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	461	0.63	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	461	0.63	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	730	0.61	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	461	0.63	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	461	0.63	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	730	0.61	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	2660	0.56	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	320	0.65	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	461	0.63	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	912	0.60	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	912	0.60	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	800	0.61	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.74	0.63	-68.99	4	6	-1	128	224.173	7	↓ MOL2 SDF SMILES Flexibase

7042

Analogs

6175401
6176175
6176176

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ADA1A-3-E	Alpha-1a Adrenergic Receptor (cluster #3 Of 3), Eukaryotic	Eukaryotes	180	0.38	Binding ≤ 10μM
ADA1B-1-E	Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	180	0.38	Binding ≤ 10μM
ADA1D-1-E	Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	180	0.38	Binding ≤ 10μM
GRINA-1-E	Glutamate [NMDA] Receptor Associated Protein 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.46	Binding ≤ 10μM
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	6	0.46	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	6	0.46	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	6	0.46	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	6	0.46	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	6	0.46	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	6	0.46	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	6	0.46	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9	0.45	Functional ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9	0.45	Functional ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	9	0.45	Functional ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	9	0.45	Functional ≤ 10μM
Z104297-2-O	Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #2 Of 3), Other	Other	57	0.41	Binding ≤ 10μM
Z104297-1-O	Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #1 Of 1), Other	Other	57	0.41	Functional ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	159	0.38	Functional ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	3981	0.30	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.00	8.78	-41.66	3	3	1	45	340.487	6	↓ MOL2 SDF SMILES Flexibase

7382

Analogs

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Popular Name: Co-101244 Co-101244

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	4	0.47	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	4	0.47	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	4	0.47	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	4	0.47	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.47	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	4	0.47	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	4	0.47	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	43	0.41	Functional ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	43	0.41	Functional ≤ 10μM
Z104297-2-O	Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #2 Of 3), Other	Other	5	0.46	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	7	-38.9	3	4	1	54	342.459	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.63	4.79	-5.94	2	4	0	53	341.451	6	↓ MOL2 SDF SMILES Flexibase

13777635

Analogs

31771168
2379538

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	1610	0.58	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	1610	0.58	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	1610	0.58	Binding ≤ 10μM
NMDE2-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #2 Of 5), Eukaryotic	Eukaryotes	1610	0.58	Binding ≤ 10μM
NMDE3-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	1610	0.58	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	1610	0.58	Binding ≤ 10μM
NMDZ1-5-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #5 Of 6), Eukaryotic	Eukaryotes	1610	0.58	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.15	6.36	-36.94	2	1	1	17	194.342	1	↓ MOL2 SDF SMILES Flexibase

3866443

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-1-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 6), Eukaryotic	Eukaryotes	3800	0.58	Binding ≤ 10μM
NMD3B-1-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #1 Of 6), Eukaryotic	Eukaryotes	3800	0.58	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	3800	0.58	Binding ≤ 10μM
NMDE2-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #2 Of 5), Eukaryotic	Eukaryotes	3800	0.58	Binding ≤ 10μM
NMDE3-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	3800	0.58	Binding ≤ 10μM
NMDE4-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #1 Of 6), Eukaryotic	Eukaryotes	3800	0.58	Binding ≤ 10μM
NMDZ1-5-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #5 Of 6), Eukaryotic	Eukaryotes	3800	0.58	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	-2.22	-44.3	3	1	1	27	180.315	2	↓ MOL2 SDF SMILES Flexibase

13488065

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	380	0.53	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	380	0.53	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	380	0.53	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	380	0.53	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	380	0.53	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	380	0.53	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	380	0.53	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.97	5.74	-30.08	3	3	1	43	226.303	1	↓ MOL2 SDF SMILES Flexibase

11568744

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	1100	0.49	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	1100	0.49	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	1100	0.49	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	1100	0.49	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	1100	0.49	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	1100	0.49	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	1100	0.49	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	-3.13	-29.99	3	3	1	43	226.303	1	↓ MOL2 SDF SMILES Flexibase

28363764

Analogs

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Vendors

Otava (Virtual)
- 7467031

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	16	0.44	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	16	0.44	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	16	0.44	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	16	0.44	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	16	0.44	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	16	0.44	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	16	0.44	Binding ≤ 10μM
Z104297-2-O	Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #2 Of 3), Other	Other	31	0.42	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	6.08	-11.04	2	5	0	70	338.407	4	↓ MOL2 SDF SMILES Flexibase

28768623

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: USAN) USAN)

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Vendors

American Custom Chemicals Corp.
- API0004153
ChemMol
- 96708113

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
A2AIR5-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 2), Eukaryotic	Eukaryotes	95	0.70	Binding ≤ 10μM
AA3R-6-E	Adenosine Receptor A3 (cluster #6 Of 6), Eukaryotic	Eukaryotes	967	0.60	Binding ≤ 10μM
GRINA-1-E	Glutamate [NMDA] Receptor Associated Protein 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	29	0.75	Binding ≤ 10μM
NMD3A-2-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic	Eukaryotes	69	0.72	Binding ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic	Eukaryotes	95	0.70	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	54	0.73	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	54	0.73	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	54	0.73	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	99	0.70	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	54	0.73	Binding ≤ 10μM
A2AIR5-1-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 1), Eukaryotic	Eukaryotes	1600	0.58	Functional ≤ 10μM
NMD3B-2-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 2), Eukaryotic	Eukaryotes	1600	0.58	Functional ≤ 10μM
NMDE1-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1600	0.58	Functional ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1600	0.58	Functional ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1600	0.58	Functional ≤ 10μM
NMDE4-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1600	0.58	Functional ≤ 10μM
NMDZ1-1-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1600	0.58	Functional ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	87	0.71	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	22	0.77	Functional ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	1100	0.60	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.61	0.05	-70.08	3	6	-1	117	222.157	3	↓ MOL2 SDF SMILES Flexibase

17014699

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRID1-1-E	Glutamate Receptor Delta-1 Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	1400	0.59	Binding ≤ 10μM
NMD3A-5-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #5 Of 6), Eukaryotic	Eukaryotes	1400	0.59	Binding ≤ 10μM
NMD3B-5-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #5 Of 6), Eukaryotic	Eukaryotes	1400	0.59	Binding ≤ 10μM
NMDE1-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	1400	0.59	Binding ≤ 10μM
NMDE2-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	1400	0.59	Binding ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	1400	0.59	Binding ≤ 10μM
NMDE4-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #5 Of 6), Eukaryotic	Eukaryotes	1400	0.59	Binding ≤ 10μM
NMDZ1-3-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 6), Eukaryotic	Eukaryotes	1400	0.59	Binding ≤ 10μM
Z104302-4-O	Glutamate NMDA Receptor (cluster #4 Of 7), Other	Other	1400	0.59	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	DL
Ref Reference (pH 7)	-0.51	1.01	-11.51	2	5	0	83	190.158	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.39	0.03	-122.56	0	5	-2	88	188.142	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.39	0.42	-128.47	0	5	-2	88	188.142	↓ MOL2 SDF SMILES Flexibase

14669

Analogs

2559943
3616630
14551

Draw Identity 99% 90% 80% 70%

Popular Name: Ifenprodil Ifenprodil

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And 18 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
5HT1A-1-E	Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	238	0.39	Binding ≤ 10μM
5HT2A-1-E	Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	610	0.36	Binding ≤ 10μM
ADA2A-1-E	Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	110	0.41	Binding ≤ 10μM
HRH1-2-E	Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1000	0.35	Binding ≤ 10μM
KCNH2-5-E	HERG (cluster #5 Of 5), Eukaryotic	Eukaryotes	100	0.41	Binding ≤ 10μM
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	13	0.46	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	13	0.46	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	13	0.46	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	94	0.41	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	13	0.46	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	13	0.46	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	13	0.46	Binding ≤ 10μM
SGMR1-1-E	Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	4	0.49	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	110	0.41	Functional ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	263	0.38	Functional ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	110	0.41	Functional ≤ 10μM
Z104304-1-O	Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other	Other	220	0.39	Binding ≤ 10μM
Z104297-1-O	Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #1 Of 1), Other	Other	66	0.42	Functional ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 3), Other	Other	263	0.38	Functional ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	3981	0.32	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	7.91	-39.49	3	3	1	45	326.46	5	↓ MOL2 SDF SMILES Flexibase

19796130

Analogs

34354758

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLRA1-1-E	Glycine Receptor Subunit Alpha-1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	90	0.62	Binding ≤ 10μM
GLRA2-1-E	Glycine Receptor Subunit Alpha-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	90	0.62	Binding ≤ 10μM
GLRA3-1-E	Glycine Receptor Alpha-3 Chain (cluster #1 Of 2), Eukaryotic	Eukaryotes	90	0.62	Binding ≤ 10μM
GLRB-1-E	Glycine Receptor Beta Chain (cluster #1 Of 2), Eukaryotic	Eukaryotes	90	0.62	Binding ≤ 10μM
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	500	0.55	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	500	0.55	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	500	0.55	Binding ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic	Eukaryotes	500	0.55	Binding ≤ 10μM
NMD3A-5-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #5 Of 6), Eukaryotic	Eukaryotes	68	0.63	Binding ≤ 10μM
NMD3B-5-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #5 Of 6), Eukaryotic	Eukaryotes	68	0.63	Binding ≤ 10μM
NMDE1-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	68	0.63	Binding ≤ 10μM
NMDE2-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #3 Of 5), Eukaryotic	Eukaryotes	68	0.63	Binding ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	68	0.63	Binding ≤ 10μM
NMDE4-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #5 Of 6), Eukaryotic	Eukaryotes	68	0.63	Binding ≤ 10μM
NMDZ1-3-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 6), Eukaryotic	Eukaryotes	68	0.63	Binding ≤ 10μM
NMD3B-1-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #1 Of 2), Eukaryotic	Eukaryotes	3500	0.48	Functional ≤ 10μM
NMDE2-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3500	0.48	Functional ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3500	0.48	Functional ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3500	0.48	Functional ≤ 10μM
Z104302-4-O	Glutamate NMDA Receptor (cluster #4 Of 7), Other	Other	90	0.62	Binding ≤ 10μM
Z50594-1-O	Mus Musculus (cluster #1 Of 9), Other	Other	4700	0.47	Functional ≤ 10μM
Z50597-10-O	Rattus Norvegicus (cluster #10 Of 12), Other	Other	5000	0.46	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.79	5.87	-38.83	1	4	-1	73	257.052	1	↓ MOL2 SDF SMILES Flexibase

3812984

Analogs

1616
2433

Draw Identity 99% 90% 80% 70%

Popular Name: Levorphanol Levorphanol

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Vendors

American Custom Chemicals Corp.
- API0004788
Tetrahedron Building Blocks
- TS81326

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
NMD3A-3-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic	Eukaryotes	2700	0.41	Binding ≤ 10μM
NMD3B-3-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic	Eukaryotes	2700	0.41	Binding ≤ 10μM
NMDE1-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	2700	0.41	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	2700	0.41	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	2700	0.41	Binding ≤ 10μM
NMDE4-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic	Eukaryotes	2700	0.41	Binding ≤ 10μM
NMDZ1-2-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	2700	0.41	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	5	0.61	Binding ≤ 10μM
OPRK-1-E	Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	4	0.62	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
SGMR1-1-E	Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
OPRM-1-E	Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	278	0.48	Functional ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 7), Other	Other	7700	0.38	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.40	-0.37	-39.78	2	2	1	24	258.385	0	↓ MOL2 SDF SMILES Flexibase

44027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Chlorpromazine Chlorpromazine

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And 57 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
5HT1A-1-E	Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	372	0.43	Binding ≤ 10μM
5HT2A-1-E	Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	9	0.54	Binding ≤ 10μM
5HT2B-1-E	Serotonin 2b (5-HT2b) Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	52	0.49	Binding ≤ 10μM
5HT2C-1-E	Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	27	0.50	Binding ≤ 10μM
5HT6R-1-E	Serotonin 6 (5-HT6) Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	50	0.49	Binding ≤ 10μM
5HT7R-1-E	Serotonin 7 (5-HT7) Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	27	0.50	Binding ≤ 10μM
ADCY2-2-E	Adenylate Cyclase Type II (cluster #2 Of 2), Eukaryotic	Eukaryotes	79	0.47	Binding ≤ 10μM
ADCY3-2-E	Adenylate Cyclase Type III (cluster #2 Of 2), Eukaryotic	Eukaryotes	79	0.47	Binding ≤ 10μM
ADCY4-2-E	Adenylate Cyclase Type IV (cluster #2 Of 2), Eukaryotic	Eukaryotes	79	0.47	Binding ≤ 10μM
ADCY5-2-E	Adenylate Cyclase Type V (cluster #2 Of 2), Eukaryotic	Eukaryotes	79	0.47	Binding ≤ 10μM
ADCY6-2-E	Adenylate Cyclase Type VI (cluster #2 Of 2), Eukaryotic	Eukaryotes	79	0.47	Binding ≤ 10μM
ADCY8-1-E	Adenylate Cyclase Type VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	79	0.47	Binding ≤ 10μM
CALM-2-E	Calmodulin (cluster #2 Of 2), Eukaryotic	Eukaryotes	7260	0.34	Binding ≤ 10μM
D4A3N4-1-E	Brain Adenylate Cyclase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	118	0.46	Binding ≤ 10μM
DRD1-2-E	Dopamine D1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	34	0.50	Binding ≤ 10μM
DRD3-1-E	Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	7	0.54	Binding ≤ 10μM
DRD4-1-E	Dopamine D4 Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	10	0.53	Binding ≤ 10μM
DRD5-1-E	Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	10	0.53	Binding ≤ 10μM
HRH1-1-E	Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	4	0.56	Binding ≤ 10μM
KCNH2-2-E	HERG (cluster #2 Of 5), Eukaryotic	Eukaryotes	5830	0.35	Binding ≤ 10μM
MDR1-2-E	P-glycoprotein 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	600	0.41	Binding ≤ 10μM
NMD3A-5-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #5 Of 6), Eukaryotic	Eukaryotes	600	0.41	Binding ≤ 10μM
NMD3B-5-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #5 Of 6), Eukaryotic	Eukaryotes	600	0.41	Binding ≤ 10μM
NMDE1-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #5 Of 5), Eukaryotic	Eukaryotes	600	0.41	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	600	0.41	Binding ≤ 10μM
NMDE3-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	600	0.41	Binding ≤ 10μM
NMDE4-5-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #5 Of 6), Eukaryotic	Eukaryotes	600	0.41	Binding ≤ 10μM
NMDZ1-6-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #6 Of 6), Eukaryotic	Eukaryotes	600	0.41	Binding ≤ 10μM
PRIO-1-E	Prion Protein (cluster #1 Of 1), Eukaryotic	Eukaryotes	2000	0.38	Binding ≤ 10μM
Q8CFM9-1-E	Adenylate Cyclase Type VII (cluster #1 Of 1), Eukaryotic	Eukaryotes	79	0.47	Binding ≤ 10μM
SCN1A-1-E	Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	4300	0.36	Binding ≤ 10μM
SCN2A-1-E	Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	4300	0.36	Binding ≤ 10μM
SCN3A-1-E	Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	4300	0.36	Binding ≤ 10μM
SCN8A-1-E	Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	4300	0.36	Binding ≤ 10μM
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	1300	0.39	Binding ≤ 10μM
TYTR-1-E	Trypanothione Reductase (cluster #1 Of 2), Eukaryotic	Eukaryotes	5800	0.35	Binding ≤ 10μM
ADCY2-1-E	Adenylate Cyclase Type II (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.39	Functional ≤ 10μM
ADCY3-1-E	Adenylate Cyclase Type III (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.39	Functional ≤ 10μM
ADCY4-1-E	Adenylate Cyclase Type IV (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.39	Functional ≤ 10μM
ADCY5-1-E	Adenylate Cyclase Type V (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.39	Functional ≤ 10μM
ADCY6-1-E	Adenylate Cyclase Type VI (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.39	Functional ≤ 10μM
ADCY8-1-E	Adenylate Cyclase Type VIII (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.39	Functional ≤ 10μM
D4A3N4-1-E	Brain Adenylate Cyclase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.39	Functional ≤ 10μM
KCNH2-1-E	HERG (cluster #1 Of 2), Eukaryotic	Eukaryotes	1470	0.39	Functional ≤ 10μM
Q8CFM9-1-E	Adenylate Cyclase Type VII (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.39	Functional ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	520	0.42	Functional ≤ 10μM
ADO-1-E	Aldehyde Oxidase (cluster #1 Of 3), Eukaryotic	Eukaryotes	570	0.42	ADME/T ≤ 10μM
CP2D6-1-E	Cytochrome P450 2D6 (cluster #1 Of 3), Eukaryotic	Eukaryotes	7000	0.34	ADME/T ≤ 10μM
DRD2-14-E	Dopamine D2 Receptor (cluster #14 Of 24), Eukaryotic	Eukaryotes	10	0.53	Binding ≤ 10μM
PDR5-1-F	Pleiotropic ABC Efflux Transporter Of Multiple Drugs (cluster #1 Of 1), Fungal	Fungi	4500	0.36	Binding ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 7), Other	Other	1300	0.39	Binding ≤ 10μM
Z104303-1-O	Muscarinic Acetylcholine Receptor (cluster #1 Of 7), Other	Other	61	0.48	Binding ≤ 10μM
Z104304-2-O	Adrenergic Receptor Alpha-1 (cluster #2 Of 3), Other	Other	6	0.55	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 5), Other	Other	51	0.49	Binding ≤ 10μM
Z101682-1-O	BK Polyomavirus (cluster #1 Of 2), Other	Other	7600	0.34	Functional ≤ 10μM
Z102380-3-O	Ileum (cluster #3 Of 3), Other	Other	180	0.45	Functional ≤ 10μM
Z50425-2-O	Plasmodium Falciparum (cluster #2 Of 22), Other	Other	3981	0.36	Functional ≤ 10μM
Z50597-9-O	Rattus Norvegicus (cluster #9 Of 12), Other	Other	180	0.45	Functional ≤ 10μM
Z50636-3-O	Sindbis Virus (cluster #3 Of 3), Other	Other	8200	0.34	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.03	11.52	-43.38	1	2	1	9	319.881	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = NMD3B_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'NMD3B\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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